2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide

C21H20N2O2S — CID 5207867

IUPAC2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC(=S)Nc2cccc3ccccc23)c1
InChIInChI=1S/C21H20N2O2S/c1-14-10-11-15(2)19(12-14)25-13-20(24)23-21(26)22-18-9-5-7-16-6-3-4-8-17(16)18/h3-12H,13H2,1-2H3,(H2,22,23,24,26)
InChIKeyRLHFFYFZADNVSA-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.35
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide

2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide (PubChem CID 5207867) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
PubChem CID5207867
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC(=S)Nc2cccc3ccccc23)c1
InChIInChI=1S/C21H20N2O2S/c1-14-10-11-15(2)19(12-14)25-13-20(24)23-21(26)22-18-9-5-7-16-6-3-4-8-17(16)18/h3-12H,13H2,1-2H3,(H2,22,23,24,26)
InChIKeyRLHFFYFZADNVSA-UHFFFAOYSA-N
XLogP4.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3389667
2-(2,5-dimethylphenoxy)-N-[(2,4-dimethylphenyl)carbamothioyl]acetamide
CID 916665
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 2229345
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 1188241
2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4990404
2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 2627702
N-[(4-chloro-2-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 19188042
2-(2,4-dibromo-6-methylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 3357985
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-(2-chlorophenyl)-4-[2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide
CID 3477654
2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide
CID 8763215
N-[(4-methylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3388367

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide (CID 5207867) is 2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide is Cc1ccc(C)c(OCC(=O)NC(=S)Nc2cccc3ccccc23)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide?
The InChIKey is RLHFFYFZADNVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14-10-11-15(2)19(12-14)25-13-20(24)23-21(26)22-18-9-5-7-16-6-3-4-8-17(16)18/h3-12H,13H2,1-2H3,(H2,22,23,24,26).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide?
2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide is sourced from PubChem (CID 5207867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).